CID 118879392

5-bromo-1h-pyrazolo[3,4-c]pyridin-3-amine

Structural Information

Molecular Formula
C6H5BrN4
SMILES
C1=C2C(=CN=C1Br)NN=C2N
InChI
InChI=1S/C6H5BrN4/c7-5-1-3-4(2-9-5)10-11-6(3)8/h1-2H,(H3,8,10,11)
InChIKey
SAXJIWTWKKIZMB-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyrazolo[3,4-c]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

211.96976 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97704 132.6
[M+Na]+ 234.95898 147.3
[M-H]- 210.96248 135.5
[M+NH4]+ 230.00358 153.2
[M+K]+ 250.93292 134.9
[M+H-H2O]+ 194.96702 131.7
[M+HCOO]- 256.96796 153.1
[M+CH3COO]- 270.98361 148.0
[M+Na-2H]- 232.94443 142.5
[M]+ 211.96921 150.1
[M]- 211.97031 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe